Computing the Optical Properties of Large Systems
Autor: | Zuehlsdorff, Tim Joachim |
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EAN: | 9783319370132 |
Sachgruppe: | Physik, Astronomie |
Sprache: | Englisch |
Seitenzahl: | 204 |
Produktart: | Kartoniert / Broschiert |
Veröffentlichungsdatum: | 15.10.2016 |
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Nominated as an outstanding Ph.D. thesis by Imperial College London, UK Presents a full introduction to density-functional theory (DFT) and time-dependent DFT with a special focus on standard algorithms used in the community Provides an introduction to linear-scaling techniques, as well as a full derivation of a novel linear-scaling time-dependent DFT algorithm Includes an in-depth study of two systems of practical interest: the Fenna-Matthews-Olson complex and pentacene-derived molecular defects in p-terphenyl crystal Includes supplementary material: sn.pub/extras